2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid

C8H10FNO2S — CID 84777178

IUPAC2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCC(C)(F)c1ncc(CC(=O)O)s1
InChIInChI=1S/C8H10FNO2S/c1-8(2,9)7-10-4-5(13-7)3-6(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyMVAUOGMTEHLBFL-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid

2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 84777178) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID84777178
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCC(C)(F)c1ncc(CC(=O)O)s1
InChIInChI=1S/C8H10FNO2S/c1-8(2,9)7-10-4-5(13-7)3-6(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyMVAUOGMTEHLBFL-UHFFFAOYSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid (CID 84777178) is 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid is CC(C)(F)c1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MVAUOGMTEHLBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-8(2,9)7-10-4-5(13-7)3-6(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 203.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 84777178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).